28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene

C152H88N10OS — CID 160951393

About 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene

28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene (PubChem CID 160951393) has the molecular formula C152H88N10OS and a molecular weight of 2107.54 g/mol. Its IUPAC name is 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

• Compound Name: 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene
• PubChem CID: 160951393
• Molecular Formula: C152H88N10OS
• Molecular Weight: 2107.54 g/mol
• Exact Mass: 2105.72
• IUPAC Name: 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3nc(-n4c5ccccc5c5ccc6oc7c8ccccc8c8ccccc8c7c6c54)nc4c3ccc3ccccc34)c2)c([2H])c1[2H].c1ccc(-n2c3cc4ccccc4cc3c3c2ccc2c4cc5ccccc5cc4n(-c4nc(-c5ccc6ccccc6c5)c5ccc6ccccc6c5n4)c23)cc1.c1ccc2c(-c3nc(-n4c5c6ccccc6ccc5c5c6ccccc6c6sc7ccccc7c6c54)nc4c3ccc3ccccc34)cccc2c1
• InChI: InChI=1S/C54H32N4.C50H29N3O.C48H27N3S/c1-2-19-41(20-3-1)57-47-27-26-43-45-29-36-15-6-8-17-38(36)31-48(45)58(53(43)50(47)46-30-37-16-7-9-18-39(37)32-49(46)57)54-55-51(40-23-22-33-12-4-5-14-35(33)28-40)44-25-24-34-13-10-11-21-42(34)52(44)56-54;1-2-13-30(14-3-1)32-16-12-17-33(29-32)46-41-26-25-31-15-4-5-18-34(31)47(41)52-50(51-46)53-42-24-11-10-21-37(42)39-27-28-43-45(48(39)53)44-38-22-8-6-19-35(38)36-20-7-9-23-40(36)49(44)54-43;1-4-16-31-28(12-1)15-11-22-35(31)44-39-27-25-29-13-2-5-17-32(29)43(39)49-48(50-44)51-45-33-18-6-3-14-30(33)24-26-38(45)41-34-19-7-8-20-36(34)47-42(46(41)51)37-21-9-10-23-40(37)52-47/h1-32H;1-29H;1-27H/i;1D,2D,3D,13D,14D
• InChIKey: SVUPYDLOEPJCPK-YMAXQGDXSA-N
• XLogP: 40.90
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2107.54
LogP ≤ 5	40.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene?

The IUPAC name of 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene (CID 160951393) is 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene.

What is the SMILES notation for 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene?

The canonical SMILES for 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene is [2H]c1c([2H])c([2H])c(-c2cccc(-c3nc(-n4c5ccccc5c5ccc6oc7c8ccccc8c8ccccc8c7c6c54)nc4c3ccc3ccccc34)c2)c([2H])c1[2H].c1ccc(-n2c3cc4ccccc4cc3c3c2ccc2c4cc5ccccc5cc4n(-c4nc(-c5ccc6ccccc6c5)c5ccc6ccccc6c5n4)c23)cc1.c1ccc2c(-c3nc(-n4c5c6ccccc6ccc5c5c6ccccc6c6sc7ccccc7c6c54)nc4c3ccc3ccccc34)cccc2c1.

What is the InChIKey of 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene?

The InChIKey is SVUPYDLOEPJCPK-YMAXQGDXSA-N. The full InChI is InChI=1S/C54H32N4.C50H29N3O.C48H27N3S/c1-2-19-41(20-3-1)57-47-27-26-43-45-29-36-15-6-8-17-38(36)31-48(45)58(53(43)50(47)46-30-37-16-7-9-18-39(37)32-49(46)57)54-55-51(40-23-22-33-12-4-5-14-35(33)28-40)44-25-24-34-13-10-11-21-42(34)52(44)56-54;1-2-13-30(14-3-1)32-16-12-17-33(29-32)46-41-26-25-31-15-4-5-18-34(31)47(41)52-50(51-46)53-42-24-11-10-21-37(42)39-27-28-43-45(48(39)53)44-38-22-8-6-19-35(38)36-20-7-9-23-40(36)49(44)54-43;1-4-16-31-28(12-1)15-11-22-35(31)44-39-27-25-29-13-2-5-17-32(29)43(39)49-48(50-44)51-45-33-18-6-3-14-30(33)24-26-38(45)41-34-19-7-8-20-36(34)47-42(46(41)51)37-21-9-10-23-40(37)52-47/h1-32H;1-29H;1-27H/i;1D,2D,3D,13D,14D;.

What are the key properties of 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene?

28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene has a molecular weight of 2107.54 g/mol, XLogP of 40.90, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 28-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaene;28-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;4-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[h]quinazolin-2-yl]-15-oxa-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 160951393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).